N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

C17H19NO4 — CID 75618524

IUPACN-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCOc1cc(C)c(NC(=O)C=Cc2ccc(C)o2)cc1OC
InChIInChI=1S/C17H19NO4/c1-11-9-15(20-3)16(21-4)10-14(11)18-17(19)8-7-13-6-5-12(2)22-13/h5-10H,1-4H3,(H,18,19)
InChIKeyLEGKSGBNJLKUTL-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.57
Rot. Bonds5

About N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 75618524) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID75618524
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCOc1cc(C)c(NC(=O)C=Cc2ccc(C)o2)cc1OC
InChIInChI=1S/C17H19NO4/c1-11-9-15(20-3)16(21-4)10-14(11)18-17(19)8-7-13-6-5-12(2)22-13/h5-10H,1-4H3,(H,18,19)
InChIKeyLEGKSGBNJLKUTL-UHFFFAOYSA-N
XLogP3.57
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712960
(E)-N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712961
(E)-3-(5-methylfuran-2-yl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26101754
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7751129
(E)-3-(5-methylfuran-2-yl)-N-(2-methyl-4-propoxyphenyl)prop-2-enamide
CID 60540583
N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 71879499
(E)-N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75462529
(E)-3-(2,6-dichlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide
CID 26877037
3-(5-methylfuran-2-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 2933195
(E)-N-(3,4-dimethoxyphenyl)sulfonyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75401971
methyl 4-chloro-2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]benzoate
CID 53457544

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 75618524) is N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is COc1cc(C)c(NC(=O)C=Cc2ccc(C)o2)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is LEGKSGBNJLKUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-11-9-15(20-3)16(21-4)10-14(11)18-17(19)8-7-13-6-5-12(2)22-13/h5-10H,1-4H3,(H,18,19).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 301.34 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 75618524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).